NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3318 8.3049 120.2624 54.1209 34.2414 174.2584 2 P 5.0419 0.0000 0.0000 60.4902 35.7208 171.8946 3 M 5.2512 9.2910 120.1867 53.7213 36.3020 174.2596 4 F 5.4533 9.4413 125.9546 56.4053 42.8552 173.6147 5 I 4.8110 8.0034 126.1582 59.2648 40.6535 174.4893 6 V 4.4900 8.7474 126.2786 60.9740 34.4295 173.7271 7 N 5.4350 8.9605 125.0866 51.7916 41.3298 173.5589 8 T 5.1417 9.0144 117.9297 60.6159 71.5198 173.4253 9 N 5.1995 8.2470 120.1800 52.2804 38.2093 175.4962 10 V 3.9671 7.8603 121.4842 61.9636 32.9834 173.8393 11 P 5.4309 0.0000 0.0000 62.0280 32.2593 177.0259 12 R 3.7859 9.1758 121.5069 59.6796 30.0096 178.5679 13 A 4.0575 7.9236 118.5182 54.6636 18.4313 178.0211 14 S 4.3040 7.9228 110.5686 59.1039 63.3140 174.4395 15 V 3.6685 7.5513 122.0404 60.9268 31.5572 173.9921 16 P 4.3845 0.0000 0.0000 62.1974 31.9291 175.2763 17 D 4.5366 8.4685 120.2725 56.0997 41.7160 175.8844 18 G 4.1198 9.2848 113.8097 45.7830 0.0000 175.0480 19 F 4.3039 8.6183 121.7465 61.6938 39.1136 177.1877 20 L 3.8470 8.0134 117.6320 57.8868 41.3859 179.5592 21 S 4.0688 7.9865 114.4258 61.5657 62.8983 176.0707 22 E 3.8885 8.3825 122.1941 59.3121 29.2812 178.8586 23 L 3.7601 7.7763 118.8848 58.0971 41.6702 179.5729 24 T 3.8044 8.0669 115.8982 66.7201 68.3467 176.7050 25 Q 3.9344 8.3164 120.1041 59.1542 28.7532 178.8861 26 Q 3.9789 8.5288 119.3563 58.9289 28.6849 178.8692 27 L 3.9109 8.1101 120.0026 57.4041 41.5083 179.2702 28 A 3.9999 7.9400 120.8421 55.4523 18.1161 179.7955 29 Q 3.8947 7.8423 115.0039 58.9596 28.8141 178.5140 30 A 4.2250 8.2742 121.8852 54.5957 18.5842 178.8547 31 T 4.5148 8.5622 106.2457 61.1153 69.6263 175.7687 32 G 3.8762 8.1991 109.8118 46.0036 0.0000 173.1624 33 K 4.6043 7.2979 117.5230 53.0914 34.2471 174.8176 34 P 4.2133 0.0000 0.0000 61.9259 31.9900 175.5301 35 P 4.1154 0.0000 0.0000 65.6240 31.5387 178.3568 36 Q 3.9423 7.9201 115.1833 59.2528 28.1184 177.2376 37 Y 4.5382 7.5441 113.4753 58.2540 38.4590 175.2755 38 I 4.4981 7.6401 121.9103 60.5391 38.1719 175.1294 39 A 4.8823 9.0100 128.7016 50.1091 21.7213 175.3664 40 V 4.9383 8.3410 120.5510 61.4235 35.0890 174.3752 41 H 4.8756 9.2566 126.6854 54.8254 33.1132 171.7267 42 V 4.7023 8.6746 125.8552 61.1598 33.5791 175.0083 43 V 4.3474 9.4047 128.9854 60.7092 33.3768 172.9843 44 P 4.8890 0.0000 0.0000 61.7196 34.0571 175.1991 45 D 4.4364 9.1472 117.3336 55.5862 38.6329 174.1445 46 Q 4.3947 8.0066 117.4925 55.1646 29.5956 175.4926 47 L 4.5172 8.2240 122.6221 54.5504 41.6628 175.5939 48 M 4.8566 8.1604 123.9968 54.3264 36.2519 174.0620 49 A 4.8367 8.0860 121.2710 50.9362 22.5933 175.7870 50 F 4.4143 8.7810 122.1130 57.4916 41.6873 175.3164 51 G 3.8031 9.2836 115.7702 46.3382 0.0000 173.8741 52 G 3.9185 8.4819 105.4055 45.1585 0.0000 173.6767 53 S 4.8250 7.8379 113.6583 56.4020 64.9737 174.0947 54 S 4.7009 8.3786 118.5182 58.0394 63.1717 174.2335 55 E 4.1601 7.9527 120.1051 55.9092 29.7563 175.1306 56 P 4.4087 0.0000 0.0000 63.9001 31.7681 175.4110 57 C 4.7677 9.5172 116.2043 57.7720 33.8052 172.2081 58 A 5.0736 8.5649 118.5651 50.7426 22.8411 175.2499 59 L 5.3557 9.0491 120.6232 53.3048 45.0002 175.7355 60 C 5.3721 9.3853 120.8130 58.2548 33.2700 172.9707 61 S 5.1158 8.5475 113.4890 56.8333 66.6669 172.7231 62 L 5.3599 9.2253 123.8120 53.8579 44.9269 174.5969 63 H 5.5709 9.5864 123.8281 54.2327 31.6815 173.1857 64 S 4.8952 9.2334 116.6188 56.9082 66.5058 173.2335 65 I 4.6034 7.9475 126.4647 60.3224 36.8162 176.5687 66 G 3.7765 9.0204 116.2474 45.5408 0.0000 171.9502 67 K 4.0397 8.7279 114.3109 56.8652 29.0658 176.0034 68 I 4.6105 7.8917 118.7401 58.8000 39.8940 175.2710 69 G 3.8533 8.7169 113.4215 44.1980 0.0000 173.1823 70 G 3.7727 7.6299 103.7041 48.8996 0.0000 175.5859 71 A 3.9812 7.6821 122.2424 54.1286 18.6928 179.6276 72 Q 3.4357 7.7425 116.2218 59.0121 28.6918 178.5267 73 N 3.7157 8.4196 117.8271 55.8434 38.3922 177.4601 74 R 3.8092 7.3515 119.4365 59.4211 30.1332 178.8116 75 S 4.0997 7.5871 113.6273 61.5478 62.9935 175.9568 76 Y 4.3840 7.7858 120.7617 60.9960 37.5928 178.7815 77 S 4.3101 8.5414 116.4375 61.4699 62.9895 176.6041 78 K 3.9258 8.1948 122.2627 59.3823 31.9318 178.4449 79 L 3.9347 8.1590 120.6255 58.3184 42.1089 178.9739 80 L 3.9820 8.7829 119.8110 58.1101 41.6036 179.4333 81 C 4.3748 8.8559 117.1769 62.5920 27.9556 176.4265 82 G 3.6371 8.2147 107.5689 47.8387 0.0000 175.8453 83 L 4.1156 8.2141 121.6135 57.5116 41.6780 179.5902 84 L 3.7821 8.2327 118.8146 57.5288 41.6130 179.5357 85 A 4.6315 8.0962 122.2560 54.8156 18.1676 179.6108 86 E 3.9477 8.1424 115.8758 59.4482 29.7017 179.2306 87 R 4.1492 8.6495 117.6525 57.6771 30.5581 177.3636 88 L 4.3144 7.5812 115.5781 53.6879 42.7349 176.5920 89 R 3.9740 7.6753 116.2004 57.2530 28.1227 175.7782 90 I 4.2724 7.3980 118.0353 59.3779 38.8519 175.4480 91 S 4.4148 8.3438 119.8696 57.4971 62.8008 173.2001 92 P 4.1775 0.0000 0.0000 65.3795 31.2189 176.7090 93 D 4.6647 7.4972 114.4912 53.6686 39.6253 176.5724 94 R 2.9407 7.6991 119.2296 55.4697 31.3392 175.1949 95 V 4.8380 7.3321 117.1323 61.3506 34.8521 173.9026 96 Y 5.3305 8.9754 123.9879 56.3914 41.5360 174.6081 97 I 4.9584 8.5360 123.0117 59.6818 40.5254 174.3688 98 N 4.6355 9.1139 125.2746 51.9446 40.5113 173.5740 99 Y 5.0684 8.0768 120.7083 56.4094 40.2600 174.6425 100 Y 4.6600 8.9897 121.6286 56.1723 41.5492 174.1364 101 D 5.1136 8.9756 124.6380 53.4737 42.0056 175.3017 102 M 4.6013 9.6357 127.8034 54.0821 34.2807 175.4868 103 N 4.7499 8.6622 120.4860 52.6439 40.2111 175.6902 104 A 3.9872 8.8775 127.9931 55.4669 18.5474 179.1393 105 A 4.1882 8.2408 116.9273 54.2910 18.5168 177.7124 106 N 4.7665 8.2222 112.5668 52.6003 39.0374 174.8719 107 V 4.3330 7.7885 119.8358 60.9734 32.9783 174.8231 108 G 4.1987 8.5260 116.5474 44.5051 0.0000 172.0733 109 W 4.5920 9.3111 129.9826 57.5028 34.5806 173.7223 110 N 3.3278 8.9955 122.9513 54.7051 36.1367 173.9158 111 N 4.2049 8.0656 110.5562 53.9166 37.5634 174.8338 112 S 4.2824 7.5654 112.9410 57.5054 64.5954 171.6465 113 T 4.9225 8.0810 108.2666 60.2522 72.1113 173.1997 114 F 4.7479 8.3292 119.5500 58.3104 41.6182 176.3280 115 A 4.2590 8.5815 121.5087 53.6195 18.4645 177.0413 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.33 0.00 1.57 1.83 0.00 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 2 P 0.00 5.04 0.00 2.11 1.91 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 3 M 9.29 5.25 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 4 F 9.44 5.45 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.00 4.81 1.69 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.75 0.00 0.00 6 V 8.75 4.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.88 0.00 0.00 7 N 8.96 5.43 0.00 2.73 2.66 0.00 0.00 5.98 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 9.01 5.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 N 8.25 5.20 0.00 2.81 2.99 0.00 0.00 6.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.86 3.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 11 P 0.00 5.43 0.00 2.24 2.15 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 12 R 9.18 3.79 0.00 2.06 1.99 0.00 3.11 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 13 A 7.92 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.92 4.30 0.00 4.09 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.55 3.67 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 16 P 0.00 4.38 0.00 2.28 2.14 0.00 3.24 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 17 D 8.47 4.54 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.28 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.62 4.30 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.01 3.85 0.00 1.80 1.70 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.99 4.07 0.00 4.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.38 3.89 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 L 7.78 3.76 0.00 1.65 1.53 0.41 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.07 3.80 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 Q 8.32 3.93 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 26 Q 8.53 3.98 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 27 L 8.11 3.91 0.00 1.65 1.57 0.73 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.94 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.84 3.89 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 30 A 8.27 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.56 4.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 32 G 8.20 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.30 4.60 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.37 7.81 34 P 0.00 4.21 0.00 1.70 1.90 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.61 0.00 35 P 0.00 4.12 0.00 2.12 2.10 0.00 3.45 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 36 Q 7.92 3.94 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 37 Y 7.54 4.54 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.64 4.50 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.90 0.00 0.00 39 A 9.01 4.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.34 4.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 41 H 9.26 4.88 0.00 3.17 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.67 4.70 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.09 0.00 0.00 43 V 9.40 4.35 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.79 0.00 0.00 44 P 0.00 4.89 0.00 2.22 2.06 0.00 3.99 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 45 D 9.15 4.44 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.01 4.39 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 47 L 8.22 4.52 0.00 1.58 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.16 4.86 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 49 A 8.09 4.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.78 4.41 0.00 2.98 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.28 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.48 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.84 4.82 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.38 4.70 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.95 4.16 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 56 P 0.00 4.41 0.00 1.98 1.98 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 57 C 9.52 4.77 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.56 5.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.05 5.36 0.00 1.61 1.63 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 C 9.39 5.37 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.55 5.12 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.23 5.36 0.00 1.95 1.64 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.59 5.57 0.00 3.15 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 9.23 4.90 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.95 4.60 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.73 0.88 0.00 0.00 66 G 9.02 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.73 4.04 0.00 2.02 2.13 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.62 7.81 68 I 7.89 4.61 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.12 0.96 0.00 0.00 69 G 8.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.63 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.68 3.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.74 3.44 0.00 1.89 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 73 N 8.42 3.72 0.00 2.37 2.09 0.00 0.00 6.67 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.35 3.81 0.00 1.95 1.83 0.00 3.05 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 75 S 7.59 4.10 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.79 4.38 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.54 4.31 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.19 3.93 0.00 1.88 1.96 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 79 L 8.16 3.93 0.00 1.83 1.99 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.78 3.98 0.00 1.79 1.73 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.86 4.37 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.21 4.12 0.00 1.81 1.94 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.23 3.78 0.00 1.77 1.77 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.10 4.63 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.14 3.95 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 87 R 8.65 4.15 0.00 1.57 1.78 0.00 3.35 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 88 L 7.58 4.31 0.00 1.69 1.57 0.84 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.68 3.97 0.00 1.97 2.02 0.00 3.26 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 90 I 7.40 4.27 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.87 0.00 0.00 91 S 8.34 4.41 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.18 0.00 2.06 2.11 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 93 D 7.50 4.66 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.70 2.94 0.00 1.49 1.26 0.00 2.92 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.17 0.00 95 V 7.33 4.84 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.87 0.00 0.00 96 Y 8.98 5.33 0.00 3.05 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.54 4.96 1.82 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.50 0.00 0.00 98 N 9.11 4.64 0.00 2.65 2.30 0.00 0.00 6.43 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.08 5.07 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.99 4.66 0.00 2.76 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.98 5.11 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 9.64 4.60 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.92 0.00 103 N 8.66 4.75 0.00 2.75 2.71 0.00 0.00 6.97 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.88 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.24 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.22 4.77 0.00 2.88 2.87 0.00 0.00 6.66 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.79 4.33 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.05 0.00 0.00 108 G 8.53 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 9.31 4.59 0.00 3.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 9.00 3.33 0.00 1.44 1.42 0.00 0.00 7.14 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.07 4.20 0.00 2.74 2.81 0.00 0.00 6.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.57 4.28 0.00 3.71 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.08 4.92 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 114 F 8.33 4.75 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.58 4.26 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00